ChemicalBook--->CAS DataBase List--->3112-85-4

3112-85-4

3112-85-4 Structure

3112-85-4 Structure
IdentificationMore
[Name]

Methyl phenyl sulfone
[CAS]

3112-85-4
[Synonyms]

METHYL(DIOXO)PHENYL-LAMBDA6-SULFANE
METHYL PHENYL SULFONE
METHYL PHENYL SULPHONE
METHYLSULFONYLBENZENE
(Methylsulphonyl)benzene
PHENYL METHYL SULFONE
(methylsulfonyl)-benzen
(Phenylsulfonyl)methane
Benzene, (methylsulfonyl)-
sulfone,methylphenyl
Methyl phenyl sulfone, 98+%
Methyl phenyl sulphone, 98+%
[EINECS(EC#)]

221-476-8
[Molecular Formula]

C7H8O2S
[MDL Number]

MFCD00014741
[Molecular Weight]

156.2
[MOL File]

3112-85-4.mol
Chemical PropertiesBack Directory
[Appearance]

white crystals
[Melting point ]

85-87 °C
[Boiling point ]

250.45°C (rough estimate)
[density ]

1.2474 (rough estimate)
[refractive index ]

1.5248 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

sol ethanol, benzene.
[form ]

Crystals
[color ]

White
[Water Solubility ]

insoluble
[BRN ]

1906914
[InChI]

1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
[InChIKey]

JCDWETOKTFWTHA-UHFFFAOYSA-N
[SMILES]

CS(=O)(=O)c1ccccc1
[CAS DataBase Reference]

3112-85-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Sulfone, methyl phenyl(3112-85-4)
[EPA Substance Registry System]

3112-85-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312a-P330-P501a
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

WR6800000
[Hazard Note ]

Irritant
[HS Code ]

29309090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

3-(Methylsulfonyl)aniline-->3-(phenylsulfonylMethylene)oxetane-->3-(Methylsulfonyl)aniline hydrochloride-->Benzenesulfinic acid-->3-Bromocyclohexene-->3-Bromostyrene-->2-Chlorostyrene-->Phenyl tribromomethyl sulfone-->dimethyl(2-phenoxyethyl)amine
Hazard InformationBack Directory
[Description]

Methyl phenyl sulfone is usually used in the lithiated form and reacts with a variety of electrophiles.
[Chemical Properties]

white crystals
[Uses]

Methyl phenyl sulfone, a versatile building block for the construction of chemicals with diverse functionalities
[Preparation]

Methyl phenyl sulfone is prepared by the reaction of Sodium Benzenesulfinate with Dimethyl Sulfate; by oxidation of  methyl phenyl sulfide with 30% Hydrogen Peroxide in acetic acid; or by the reaction of polymer-supported  benzenesulfinate anion with Iodomethane in refluxing benzene.
[Synthesis Reference(s)]

Chemistry Letters, 20, p. 523, 1991
Journal of the American Chemical Society, 105, p. 7755, 1983 DOI: 10.1021/ja00364a054
Synthesis, p. 342, 1974
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl phenyl sulfone(3112-85-4)MS
Methyl phenyl sulfone(3112-85-4)1HNMR
Methyl phenyl sulfone(3112-85-4)13CNMR
Methyl phenyl sulfone(3112-85-4)IR1
Methyl phenyl sulfone(3112-85-4)IR2
Methyl phenyl sulfone(3112-85-4)IR3
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl phenyl sulfone, 99%(3112-85-4)
[Alfa Aesar]

Methyl phenyl sulfone, 98+%(3112-85-4)
[Sigma Aldrich]

3112-85-4(sigmaaldrich)
[TCI AMERICA]

Methyl Phenyl Sulfone,>97.0%(GC)(3112-85-4)
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